Change search
ReferencesLink to record
Permanent link

Direct link
A plant alkaloid, azadirachtin as an inhibitor for glutathione-S-transferase from Proteus mirabilis
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.ORCID iD: 0000-0003-0185-5724
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.ORCID iD: 0000-0002-1763-9383
(English)Article in journal (Other academic) In press
National Category
Nano Technology
URN: urn:nbn:se:kth:diva-123070OAI: diva2:624438

QS 2013

Available from: 2013-05-31 Created: 2013-05-31 Last updated: 2013-05-31Bibliographically approved
In thesis
1. Nutraceuticals based computational medicinal chemistry
Open this publication in new window or tab >>Nutraceuticals based computational medicinal chemistry
2013 (English)Licentiate thesis, comprehensive summary (Other academic)
Abstract [en]

In recent years, the edible biomedicinal products called nutraceuticals have been becoming more popular among the pharmaceutical industries and the consumers. In the process of developing nutraceuticals, in silico approaches play an important role in structural elucidation, receptor-ligand interactions, drug designing etc., that critically help the laboratory experiments to avoid biological and financial risk. In this thesis, three nutraceuticals possessing antimicrobial and anticancer activities have been studied. Firstly, a tertiary structure was elucidated for a coagulant protein (MO2.1) of Moringa oleifera based on homology modeling and also studied its oligomerization that is believed to interfere with its medicinal properties. Secondly, the antimicrobial efficiency of a limonoid from neem tree called ‘azadirachtin’ was studied with a bacterial (Proteus mirabilis) detoxification agent, glutathione S-transferase, to propose it as a potent drug candidate for urinary tract infections. Thirdly, sequence specific binding activity was analyzed for a plant alkaloid called ‘palmatine’ for the purpose of developing intercalators in cancer therapy. Cumulatively, we have used in silico methods to propose the structure of an antimicrobial peptide and also to understand the interactions between protein and nucleic acids with these nutraceuticals.

Place, publisher, year, edition, pages
Stockholm: KTH Royal Institute of Technology, 2013. ix, 36 p.
Trita-BIO-Report, ISSN 1654-2312 ; 2013:11
National Category
Bioinformatics (Computational Biology)
urn:nbn:se:kth:diva-122681 (URN)978-91-7501-806-5 (ISBN)
2013-06-14, Seminarierum, Hus 10, Ruslagstullsbacken 15, Stockholm, 14:00 (English)

QC 20130531

Available from: 2013-05-31 Created: 2013-05-26 Last updated: 2013-05-31Bibliographically approved

Open Access in DiVA

No full text

Search in DiVA

By author/editor
Kayathri, RajarathinamMurugan, Natarajan ArulÅgren, Hans
By organisation
Theoretical Chemistry and Biology
Nano Technology

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Total: 106 hits
ReferencesLink to record
Permanent link

Direct link